3,3-difluoro-1,2,4,5-tetramethylcyclopentene

C9H14F2 — CID 143009377

IUPAC3,3-difluoro-1,2,4,5-tetramethylcyclopentene
SMILESCC1=C(C)C(F)(F)C(C)C1C
InChIInChI=1S/C9H14F2/c1-5-6(2)8(4)9(10,11)7(5)3/h5,7H,1-4H3
InChIKeyYYQNIIGNMOQDRD-UHFFFAOYSA-N
MW160.21 g/mol
LogP3.24
Rot. Bonds

About 3,3-difluoro-1,2,4,5-tetramethylcyclopentene

3,3-difluoro-1,2,4,5-tetramethylcyclopentene (PubChem CID 143009377) has the molecular formula C9H14F2 and a molecular weight of 160.21 g/mol. Its IUPAC name is 3,3-difluoro-1,2,4,5-tetramethylcyclopentene.

Molecular Properties

Compound Name3,3-difluoro-1,2,4,5-tetramethylcyclopentene
PubChem CID143009377
Molecular FormulaC9H14F2
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name3,3-difluoro-1,2,4,5-tetramethylcyclopentene
SMILESCC1=C(C)C(F)(F)C(C)C1C
InChIInChI=1S/C9H14F2/c1-5-6(2)8(4)9(10,11)7(5)3/h5,7H,1-4H3
InChIKeyYYQNIIGNMOQDRD-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,5-Pentamethylcyclopentene
CID 85771874
1,2,3,3,6,6-Hexafluoro-4,5-dimethylcyclohexene
CID 20802222
2-Fluoro-1,4-dimethylcyclohexene
CID 22942559
1,1,1,2-Tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)non-3-ene
CID 54355597
1-Methyl-4-methylidene-5-(2,2,2-trifluoroethyl)cyclopentene
CID 57237345
1,3-Difluoro-2,4,5-trimethylcyclopentene
CID 57935290
1,3,3-Trifluoro-2,4,5-trimethylcyclopentene
CID 57935291
2-Fluoro-1,3,4-trimethylcyclohexene
CID 58151897
6,6-Difluoro-1,4,5-trimethylcyclohexene
CID 58151926
2-Fluoro-1,3,4-trimethylcyclopentene
CID 58995685
5,5-Difluoro-1,3,4-trimethylcyclopentene
CID 58995707
2-(Difluoromethyl)-1,3-dimethylcyclobutene
CID 60107906

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1,2,4,5-tetramethylcyclopentene?
The IUPAC name of 3,3-difluoro-1,2,4,5-tetramethylcyclopentene (CID 143009377) is 3,3-difluoro-1,2,4,5-tetramethylcyclopentene.
What is the SMILES notation for 3,3-difluoro-1,2,4,5-tetramethylcyclopentene?
The canonical SMILES for 3,3-difluoro-1,2,4,5-tetramethylcyclopentene is CC1=C(C)C(F)(F)C(C)C1C.
What is the InChIKey of 3,3-difluoro-1,2,4,5-tetramethylcyclopentene?
The InChIKey is YYQNIIGNMOQDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2/c1-5-6(2)8(4)9(10,11)7(5)3/h5,7H,1-4H3.
What are the key properties of 3,3-difluoro-1,2,4,5-tetramethylcyclopentene?
3,3-difluoro-1,2,4,5-tetramethylcyclopentene has a molecular weight of 160.21 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1,2,4,5-tetramethylcyclopentene is sourced from PubChem (CID 143009377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).